SCHEMBL21874064

SCHEMBL21874064

O=C(O)C1(c2ccc(OCF)cc2)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 1/20 0.68
TSHR P16473 1/20 0.68
AKR1C1 Q04828 1/20 0.56
TET3 O43151 2/20 0.47
FBXL19 Q6PCT2 2/20 0.47
CXXC5 Q7LFL8 2/20 0.47
TET1 Q8NFU7 2/20 0.47
KDM2B Q8NHM5 2/20 0.47
CXXC4 Q9H2H0 2/20 0.47
KDM2A Q9Y2K7 2/20 0.47
MAP4K4 O95819 1/20 0.40
HDAC4 P56524 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RCE1 Q9Y256 1/20 0.37
KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10351011 0.93 KMT2A (0.59) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL21874228 0.88 KMT2A (0.54) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL4812653 0.83 KMT2A (0.76) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL21964342 0.81 HSD11B1 (0.59) KMT2AMEN1TSHRCYP3A4CYP2C19
SCHEMBL11232365 0.81 KMT2A (0.73) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL10319694 0.81 KMT2A (0.64) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL27078205 0.80 MEN1 (0.63) KMT2AMEN1TSHRAKR1C1CYP2C19
SCHEMBL21874089 0.80 APOBEC3A (0.46) KMT2AMEN1TSHRHTTALDH1A1
SCHEMBL27078208 0.79 KMT2A (0.62) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL21874210 0.79 MEN1 (0.62) KMT2AMEN1TSHRAKR1C1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 KMT2A 124/4885MEN1 3511/4885TSHR 2614/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 KMT2A 124/4885MEN1 3511/4885TSHR 2614/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.